cobalt;formic acid;hydrate

CH4CoO3 — CID 175469844

IUPACcobalt;formic acid;hydrate
SMILESO.O=CO.[Co]
InChIInChI=1S/CH2O2.Co.H2O/c2-1-3;;/h1H,(H,2,3);;1H2
InChIKeyXSEPDUODIPYNJG-UHFFFAOYSA-N
MW122.97 g/mol
LogP-1.13
Rot. Bonds

About cobalt;formic acid;hydrate

cobalt;formic acid;hydrate (PubChem CID 175469844) has the molecular formula CH4CoO3 and a molecular weight of 122.97 g/mol. Its IUPAC name is cobalt;formic acid;hydrate.

Molecular Properties

Compound Namecobalt;formic acid;hydrate
PubChem CID175469844
Molecular FormulaCH4CoO3
Molecular Weight122.97 g/mol
Exact Mass122.95
IUPAC Namecobalt;formic acid;hydrate
SMILESO.O=CO.[Co]
InChIInChI=1S/CH2O2.Co.H2O/c2-1-3;;/h1H,(H,2,3);;1H2
InChIKeyXSEPDUODIPYNJG-UHFFFAOYSA-N
XLogP-1.13
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.97
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;formic acid;hydrate?
The IUPAC name of cobalt;formic acid;hydrate (CID 175469844) is cobalt;formic acid;hydrate.
What is the SMILES notation for cobalt;formic acid;hydrate?
The canonical SMILES for cobalt;formic acid;hydrate is O.O=CO.[Co].
What is the InChIKey of cobalt;formic acid;hydrate?
The InChIKey is XSEPDUODIPYNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Co.H2O/c2-1-3;;/h1H,(H,2,3);;1H2.
What are the key properties of cobalt;formic acid;hydrate?
cobalt;formic acid;hydrate has a molecular weight of 122.97 g/mol, XLogP of -1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;formic acid;hydrate is sourced from PubChem (CID 175469844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).